#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1faf s ASP 2 N 0.00 6.39 -0.32 7.83 1.01 -1.26 -4.95 116.67 125.38 1faf s ASP 2 Ca 0.00 1.63 0.01 0.00 0.71 0.00 0.00 52.55 54.90 1faf s ASP 2 Cb 0.00 -2.53 0.14 0.00 1.01 0.00 0.00 42.92 41.54 1faf s ASP 2 CO 0.00 -1.25 0.31 0.00 0.21 0.00 0.00 175.17 174.45 1faf s ARG 3 N 4.65 0.43 -0.06 8.23 1.70 -1.26 -5.12 118.95 127.52 1faf s ARG 3 Ca 0.71 -0.44 -0.02 0.00 -0.47 0.00 0.00 55.73 55.51 1faf s ARG 3 Cb -0.25 -0.72 0.03 0.00 -0.57 0.00 0.00 34.95 33.44 1faf s ARG 3 CO 0.29 -1.09 0.03 0.14 -1.08 0.00 0.00 175.30 173.59 1faf s VAL 4 N 1.99 0.13 0.40 4.99 -7.23 -1.26 -4.87 120.40 114.56 1faf s VAL 4 Ca 0.12 0.25 -0.23 0.00 -1.81 0.00 0.00 61.98 60.31 1faf s VAL 4 Cb -0.15 -0.36 -0.10 0.00 0.56 0.00 0.00 36.38 36.33 1faf s VAL 4 CO -0.22 0.19 0.99 -1.48 -0.31 0.00 0.00 175.10 174.27 1faf s LEU 5 N 2.07 4.08 0.00 1.32 0.05 -1.26 -5.07 118.68 119.87 1faf s LEU 5 Ca 0.05 1.85 -0.02 0.00 0.05 0.00 0.00 54.13 56.06 1faf s LEU 5 Cb -0.12 -4.32 0.12 0.00 -2.05 0.00 0.00 46.19 39.81 1faf s LEU 5 CO -0.04 -0.39 0.79 -1.54 -0.55 0.00 0.00 176.35 174.62 1faf n SER 6 N -0.24 0.88 -0.21 1.48 3.41 -1.26 -4.65 113.62 113.02 1faf n SER 6 Ca 0.06 -1.78 0.13 0.00 -0.26 0.00 0.00 58.87 57.01 1faf n SER 6 Cb 0.52 -0.53 0.43 0.00 -0.26 0.00 0.00 64.21 64.37 1faf n SER 6 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1faf h ARG 7 N 0.00 0.57 -0.26 4.33 3.08 -1.97 0.61 114.38 120.73 1faf h ARG 7 Ca -0.26 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.63 1faf h ARG 7 Cb 0.92 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1faf h ARG 7 CO 0.26 0.37 -0.37 0.00 -1.07 0.00 0.00 179.97 179.17 1faf h ALA 8 N 1.62 0.87 0.08 0.04 0.00 -1.98 -1.01 119.26 118.88 1faf h ALA 8 Ca 0.40 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1faf h ALA 8 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1faf h ALA 8 CO -0.15 0.63 -1.07 -0.44 0.00 0.00 0.00 179.25 178.22 1faf h ASP 9 N 0.50 0.26 -0.40 0.00 3.32 -1.46 -2.98 116.42 115.65 1faf h ASP 9 Ca 0.05 -0.83 -0.03 0.00 0.02 0.00 0.00 57.03 56.24 1faf h ASP 9 Cb 0.86 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1faf h ASP 9 CO 0.07 1.46 0.16 0.07 -1.72 0.00 0.00 179.24 179.29 1faf h LYS 10 N -0.56 0.66 -0.20 3.56 2.10 0.07 -1.17 116.57 121.03 1faf h LYS 10 Ca -0.24 -0.10 -0.11 0.00 -2.00 0.00 0.00 60.65 58.20 1faf h LYS 10 Cb 1.53 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.73 1faf h LYS 10 CO 0.01 0.56 -0.36 0.93 -2.00 0.00 0.00 179.45 178.59 1faf h GLU 11 N 0.66 0.44 -0.24 0.07 4.39 -1.31 -2.34 114.58 116.24 1faf h GLU 11 Ca 0.16 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1faf h GLU 11 Cb 0.16 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1faf h GLU 11 CO -0.01 0.75 0.11 -0.09 -1.16 0.00 0.00 179.01 178.61 1faf h ARG 12 N 0.37 0.33 -0.30 2.33 2.43 -1.06 -0.70 114.38 117.78 1faf h ARG 12 Ca 0.04 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1faf h ARG 12 Cb 0.81 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1faf h ARG 12 CO 0.07 0.26 -0.31 1.25 -1.51 0.00 0.00 179.97 179.73 1faf h LEU 13 N 0.33 0.65 -0.57 3.80 5.85 -0.88 -2.96 115.31 121.52 1faf h LEU 13 Ca 0.09 -0.25 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 1faf h LEU 13 Cb 0.04 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1faf h LEU 13 CO -0.01 0.91 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.65 1faf h LEU 14 N 0.53 0.87 -0.17 2.25 3.38 -0.97 -1.60 115.31 119.60 1faf h LEU 14 Ca 0.06 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1faf h LEU 14 Cb 0.80 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1faf h LEU 14 CO 0.07 1.09 -0.07 -0.08 0.09 0.00 0.00 178.44 179.53 1faf h GLU 15 N 0.72 -0.05 0.00 1.13 4.81 -1.16 0.79 114.58 120.81 1faf h GLU 15 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1faf h GLU 15 Cb 0.83 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1faf h GLU 15 CO 0.07 -0.03 0.00 -0.07 -0.73 0.00 0.00 179.01 178.25 1faf h LEU 16 N -0.05 0.00 -0.17 1.64 3.38 -1.51 -2.91 115.31 115.70 1faf h LEU 16 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1faf h LEU 16 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1faf h LEU 16 CO -0.21 0.00 -0.42 0.18 0.09 0.00 0.00 178.44 178.08 1faf n LEU 17 N -2.40 0.68 -1.46 1.67 7.99 -0.32 -4.75 117.00 118.40 1faf n LEU 17 Ca 0.04 -0.09 -0.13 0.00 -0.01 0.00 0.00 56.01 55.81 1faf n LEU 17 Cb 0.35 -0.20 -0.05 0.00 -0.11 0.00 0.00 43.42 43.41 1faf n LEU 17 CO 0.26 0.15 -0.13 0.29 -1.51 0.00 0.00 177.39 176.45 1faf n LYS 18 N -1.21 -1.35 -3.67 3.23 5.02 0.12 -4.73 118.16 115.56 1faf n LYS 18 Ca 0.08 0.76 -0.39 0.00 -2.02 0.00 0.00 58.31 56.73 1faf n LYS 18 Cb 0.34 -5.03 -0.11 0.00 -0.02 0.00 0.00 35.03 30.21 1faf n LYS 18 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1faf s LEU 19 N -3.87 4.73 1.06 -0.35 0.20 -1.13 -5.07 118.68 114.24 1faf s LEU 19 Ca 0.00 -1.30 -0.21 0.00 0.69 0.00 0.00 54.13 53.31 1faf s LEU 19 Cb 0.00 -1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 43.81 1faf s LEU 19 CO 0.00 -0.42 -0.55 -2.65 -0.29 0.00 0.00 176.35 172.44 1faf n PRO 20 N 4.87 -0.85 0.00 0.98 -0.02 -1.26 -4.75 135.00 133.97 1faf n PRO 20 Ca -0.11 -0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.27 1faf n PRO 20 Cb 0.44 -1.43 0.43 0.00 -0.02 0.00 0.00 33.50 32.92 1faf n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1faf n ARG 21 N -0.19 0.79 0.08 -0.52 3.00 -1.26 -3.82 116.66 114.74 1faf n ARG 21 Ca 0.00 -0.43 -0.10 0.00 -0.01 0.00 0.00 57.85 57.31 1faf n ARG 21 Cb 0.66 -1.49 -0.01 0.00 0.00 0.00 0.00 32.46 31.61 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1faf h GLN 22 N 1.04 0.29 -0.55 5.56 4.15 -2.05 -3.19 115.11 120.36 1faf h GLN 22 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1faf h GLN 22 Cb 0.47 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1faf h GLN 22 CO 0.00 1.00 0.00 1.47 -1.93 0.00 0.00 178.83 179.37 1faf n LEU 23 N -3.71 4.00 -4.53 -2.39 -0.00 -1.25 -4.97 117.00 104.15 1faf n LEU 23 Ca -0.05 -2.29 -0.42 0.00 -0.00 0.00 0.00 56.01 53.25 1faf n LEU 23 Cb 0.80 -0.46 -0.05 0.00 -0.00 0.00 0.00 43.42 43.71 1faf n LEU 23 CO 0.49 0.82 1.94 1.87 -0.00 0.00 0.00 177.39 182.50 1faf n TRP 24 N 0.90 1.56 0.00 1.47 -0.00 -1.21 -2.78 117.44 117.38 1faf n TRP 24 Ca 0.21 0.11 0.00 0.00 -0.00 0.00 0.00 57.50 57.82 1faf n TRP 24 Cb 0.71 -2.62 0.00 0.00 -0.00 0.00 0.00 31.31 29.40 1faf n TRP 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1faf n GLY 25 N 6.12 0.55 3.56 5.87 0.00 -1.26 -5.10 105.19 114.93 1faf n GLY 25 Ca 0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 1faf n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1faf s ASP 26 N 0.00 6.46 0.23 1.61 2.15 -1.12 -4.92 116.67 121.09 1faf s ASP 26 Ca 0.00 0.02 -0.07 0.00 0.43 0.00 0.00 52.55 52.93 1faf s ASP 26 Cb 0.00 -2.47 0.21 0.00 -0.30 0.00 0.00 42.92 40.36 1faf s ASP 26 CO 0.00 -1.17 1.86 0.15 -0.17 0.00 0.00 175.17 175.84 1faf h PHE 27 N 9.21 1.23 -0.29 -5.34 3.57 -1.99 -1.62 116.94 121.71 1faf h PHE 27 Ca -0.25 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 1faf h PHE 27 Cb 1.07 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1faf h PHE 27 CO 0.91 0.84 0.11 0.78 -2.23 0.00 0.00 178.31 178.72 1faf h GLY 28 N 1.26 0.44 0.86 2.40 0.00 -1.99 -0.63 103.07 105.41 1faf h GLY 28 Ca 0.32 -0.20 -0.29 0.00 0.00 0.00 0.00 47.33 47.16 1faf h GLY 28 CO -0.05 0.19 -1.40 3.21 0.00 0.00 0.00 176.54 178.49 1faf h ARG 29 N 0.41 0.38 -0.06 4.80 3.08 -1.89 -2.82 114.38 118.28 1faf h ARG 29 Ca 0.10 -0.65 -0.01 0.00 0.07 0.00 0.00 59.98 59.50 1faf h ARG 29 Cb 0.10 0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1faf h ARG 29 CO -0.01 1.31 0.00 0.00 -1.07 0.00 0.00 179.97 180.20 1faf h MET 30 N -0.09 0.10 -0.76 0.04 -0.00 -1.19 -0.40 114.93 112.63 1faf h MET 30 Ca -0.27 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.70 59.36 1faf h MET 30 Cb 1.94 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 33.49 1faf h MET 30 CO 0.17 0.37 0.30 0.37 -0.00 0.00 0.00 176.91 178.11 1faf h GLN 31 N -0.18 1.14 -0.88 -0.10 4.15 -1.28 0.53 115.11 118.49 1faf h GLN 31 Ca 0.02 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.23 1faf h GLN 31 Cb 0.32 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 1faf h GLN 31 CO 0.00 0.93 0.55 0.37 -1.93 0.00 0.00 178.83 178.75 1faf h GLN 32 N 1.10 1.17 -0.03 1.69 5.75 -1.39 -1.95 115.11 121.45 1faf h GLN 32 Ca 0.25 -0.09 -0.20 0.00 -0.15 0.00 0.00 58.65 58.46 1faf h GLN 32 Cb 0.22 -0.25 0.01 0.00 1.07 0.00 0.00 27.48 28.53 1faf h GLN 32 CO -0.02 0.80 -0.74 0.00 -2.65 0.00 0.00 178.83 176.22 1faf h ALA 33 N 1.41 0.14 -0.99 3.38 0.00 -0.41 -2.68 119.26 120.10 1faf h ALA 33 Ca 0.32 -0.60 0.18 0.00 0.00 0.00 0.00 54.91 54.81 1faf h ALA 33 Cb -0.09 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 1faf h ALA 33 CO -0.06 0.50 0.61 -0.92 0.00 0.00 0.00 179.25 179.38 1faf h TYR 34 N 0.16 1.02 -0.08 0.00 5.03 0.44 0.53 116.97 124.06 1faf h TYR 34 Ca -0.08 0.03 -0.17 0.00 2.58 0.00 0.00 58.73 61.09 1faf h TYR 34 Cb 1.42 -0.31 0.01 0.00 1.55 0.00 0.00 36.73 39.40 1faf h TYR 34 CO 0.12 0.26 -0.62 0.87 -1.32 0.00 0.00 178.16 177.46 1faf h LYS 35 N 0.75 0.55 -0.13 1.82 1.79 -1.38 0.83 116.57 120.81 1faf h LYS 35 Ca 0.56 -0.50 -0.07 0.00 -2.18 0.00 0.00 60.65 58.46 1faf h LYS 35 Cb 0.88 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1faf h LYS 35 CO -0.34 1.12 -0.22 1.96 -1.08 0.00 0.00 179.45 180.90 1faf h GLN 36 N 0.16 0.21 0.00 3.15 1.08 -0.84 -2.53 115.11 116.34 1faf h GLN 36 Ca -0.06 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.01 1faf h GLN 36 Cb 1.28 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 1faf h GLN 36 CO 0.13 0.43 -0.94 1.96 -0.95 0.00 0.00 178.83 179.46 1faf h GLN 37 N 0.20 0.00 0.00 1.46 1.08 -0.01 -3.28 115.11 114.56 1faf h GLN 37 Ca 0.03 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1faf h GLN 37 Cb 0.50 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1faf h GLN 37 CO 0.03 0.17 -0.11 0.77 -0.95 0.00 0.00 178.83 178.75 1faf h SER 38 N 0.00 0.00 0.68 1.46 0.02 -0.40 -2.25 113.55 113.06 1faf h SER 38 Ca -0.06 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.63 1faf h SER 38 Cb 1.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 1faf h SER 38 CO 0.03 0.11 -1.35 -0.07 -1.14 0.00 0.00 176.83 174.40 1faf h LEU 39 N 0.00 0.15 0.00 5.07 3.38 -1.57 -3.23 115.31 119.12 1faf h LEU 39 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1faf h LEU 39 Cb 0.60 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1faf h LEU 39 CO 0.01 1.17 -0.27 0.00 0.09 0.00 0.00 178.44 179.44 1faf n LEU 40 N -3.32 0.30 0.00 1.67 -0.00 -1.10 -3.41 117.00 111.14 1faf n LEU 40 Ca -0.10 0.25 0.11 0.00 -0.00 0.00 0.00 56.01 56.27 1faf n LEU 40 Cb 1.00 -0.36 0.06 0.00 -0.00 0.00 0.00 43.42 44.13 1faf n LEU 40 CO 0.48 0.05 0.19 0.18 -0.00 0.00 0.00 177.39 178.29 1faf n LEU 41 N -1.56 0.75 -4.73 1.47 4.77 -0.86 -4.53 117.00 112.30 1faf n LEU 41 Ca 0.06 -0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 55.40 1faf n LEU 41 Cb 0.35 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1faf n LEU 41 CO 0.31 0.19 0.95 1.57 -1.33 0.00 0.00 177.39 179.08 1faf n HIS 42 N -1.51 2.23 0.42 -1.77 -0.00 -1.22 -4.00 115.22 109.36 1faf n HIS 42 Ca 0.05 0.44 0.05 0.00 0.46 0.00 0.00 57.72 58.72 1faf n HIS 42 Cb 0.34 -2.36 0.24 0.00 -0.12 0.00 0.00 29.99 28.09 1faf n HIS 42 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1faf n PRO 43 N -0.72 0.05 0.10 1.57 -0.04 -1.26 -1.96 135.00 132.74 1faf n PRO 43 Ca 0.09 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.90 1faf n PRO 43 Cb 0.43 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 1faf n PRO 43 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1faf h ASP 44 N 0.00 0.00 -0.65 3.54 1.82 -1.89 -3.33 116.42 115.91 1faf h ASP 44 Ca 0.00 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.31 1faf h ASP 44 Cb 0.16 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 39.97 1faf h ASP 44 CO 0.00 0.21 0.26 0.29 -1.61 0.00 0.00 179.24 178.39 1faf n LYS 45 N -2.82 2.10 -2.52 0.28 4.01 -0.83 -4.94 118.16 113.45 1faf n LYS 45 Ca -0.02 -3.10 -0.04 0.00 -0.51 0.00 0.00 58.31 54.64 1faf n LYS 45 Cb 0.65 -1.99 0.02 0.00 -0.51 0.00 0.00 35.03 33.19 1faf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1faf n GLY 46 N -1.09 -0.70 3.16 0.72 0.00 -1.23 -4.90 105.19 101.15 1faf n GLY 46 Ca 0.45 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.61 1faf n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1faf s GLY 47 N -2.86 0.84 -0.04 -0.02 0.00 -1.05 -4.94 107.32 99.25 1faf s GLY 47 Ca 0.11 -1.39 -0.19 0.00 0.00 0.00 0.00 44.72 43.24 1faf s GLY 47 CO 0.47 -1.42 0.54 -0.56 0.00 0.00 0.00 173.10 172.12 1faf s SER 48 N -3.04 6.87 0.36 1.64 0.01 -1.26 -4.33 113.70 113.95 1faf s SER 48 Ca 0.16 1.03 0.15 0.00 1.31 0.00 0.00 55.95 58.60 1faf s SER 48 Cb 0.06 -2.33 0.70 0.00 0.21 0.00 0.00 66.02 64.67 1faf s SER 48 CO -0.03 0.09 1.78 1.12 0.41 0.00 0.00 173.24 176.61 1faf h HIS 49 N 5.91 0.00 0.00 2.43 2.07 -1.96 -2.76 115.15 120.84 1faf h HIS 49 Ca -0.44 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.01 1faf h HIS 49 Cb 1.20 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.17 1faf h HIS 49 CO 0.65 0.40 -0.33 0.00 -3.07 0.00 0.00 177.93 175.58 1faf h ALA 50 N 1.60 1.23 0.00 6.11 0.00 -1.96 -2.78 119.26 123.45 1faf h ALA 50 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1faf h ALA 50 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1faf h ALA 50 CO 0.05 0.42 -0.00 -0.07 0.00 0.00 0.00 179.25 179.65 1faf h LEU 51 N 0.00 -0.00 -0.19 0.00 4.07 -1.89 -3.04 115.31 114.26 1faf h LEU 51 Ca -0.00 -0.89 0.05 0.00 0.08 0.00 0.00 57.88 57.12 1faf h LEU 51 Cb 0.68 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.37 1faf h LEU 51 CO 0.04 0.90 -0.15 -0.03 -1.08 0.00 0.00 178.44 178.12 1faf h MET 52 N -0.92 -0.15 0.00 1.13 4.05 -1.52 0.18 114.93 117.71 1faf h MET 52 Ca -0.00 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1faf h MET 52 Cb 0.89 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.72 1faf h MET 52 CO 0.00 -0.10 -0.14 -0.56 0.23 0.00 0.00 176.91 176.34 1faf h GLN 53 N -0.15 0.00 -0.14 0.39 3.07 -1.64 -2.32 115.11 114.32 1faf h GLN 53 Ca 0.11 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.64 1faf h GLN 53 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.89 1faf h GLN 53 CO -0.28 0.14 -0.77 1.49 0.09 0.00 0.00 178.83 179.49 1faf h GLU 54 N 0.00 0.73 -0.80 0.06 4.81 -1.06 -3.22 114.58 115.10 1faf h GLU 54 Ca -0.00 -0.60 0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1faf h GLU 54 Cb 0.31 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 1faf h GLU 54 CO 0.02 1.21 0.50 1.25 -0.73 0.00 0.00 179.01 181.26 1faf h LEU 55 N 0.50 0.81 -1.88 1.64 5.85 -0.45 -1.14 115.31 120.64 1faf h LEU 55 Ca -0.05 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1faf h LEU 55 Cb 1.39 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1faf h LEU 55 CO 0.16 0.54 -0.09 0.78 -0.34 0.00 0.00 178.44 179.49 1faf h ASN 56 N 0.95 0.00 0.97 1.25 2.35 -1.53 0.28 115.58 119.85 1faf h ASN 56 Ca 0.33 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.94 1faf h ASN 56 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1faf h ASN 56 CO -0.14 0.09 -0.70 -1.28 -1.65 0.00 0.00 177.43 173.75 1faf h SER 57 N 0.00 0.00 0.45 5.81 0.87 -1.23 0.98 113.55 120.43 1faf h SER 57 Ca -0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 1faf h SER 57 Cb 0.17 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1faf h SER 57 CO 0.01 0.70 -1.73 -0.07 -0.53 0.00 0.00 176.83 175.22 1faf h LEU 58 N 0.00 0.06 0.00 2.23 3.38 -0.80 -3.22 115.31 116.96 1faf h LEU 58 Ca -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1faf h LEU 58 Cb 1.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1faf h LEU 58 CO 0.09 1.12 -0.69 -0.25 0.09 0.00 0.00 178.44 178.81 1faf h TRP 59 N 0.01 0.00 0.05 1.13 2.91 -0.54 -3.12 115.95 116.40 1faf h TRP 59 Ca -0.30 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.72 1faf h TRP 59 Cb 2.01 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.66 1faf h TRP 59 CO 0.01 0.00 -0.02 0.78 -1.03 0.00 0.00 178.44 178.18 1faf h GLY 60 N 4.30 -0.07 0.71 2.65 0.00 -0.92 -2.07 103.07 107.65 1faf h GLY 60 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.38 1faf h GLY 60 CO 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 176.54 176.45 1faf h THR 61 N -1.02 0.80 -0.80 4.70 1.03 -1.74 -0.88 112.91 115.01 1faf h THR 61 Ca -0.01 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.55 1faf h THR 61 Cb 0.09 0.80 -0.15 0.00 -1.07 0.00 0.00 68.15 67.82 1faf h THR 61 CO 0.01 0.00 -0.25 0.15 -0.01 0.00 0.00 175.52 175.43 1faf h PHE 62 N -0.07 -0.58 -0.98 0.00 3.57 -1.69 0.76 116.94 117.96 1faf h PHE 62 Ca 0.06 0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.74 1faf h PHE 62 Cb 0.16 0.38 -0.07 0.00 2.79 0.00 0.00 35.95 39.20 1faf h PHE 62 CO -0.18 -0.36 0.62 -0.22 -2.23 0.00 0.00 178.31 175.94 1faf h LYS 63 N -0.03 0.99 -1.05 1.11 3.64 -0.46 0.19 116.57 120.98 1faf h LYS 63 Ca 0.36 -0.06 0.27 0.00 -1.27 0.00 0.00 60.65 59.96 1faf h LYS 63 Cb 0.59 -0.22 -0.11 0.00 -0.41 0.00 0.00 32.23 32.08 1faf h LYS 63 CO -0.83 0.66 0.65 1.15 -2.27 0.00 0.00 179.45 178.81 1faf h THR 64 N 1.02 0.49 0.00 1.00 2.02 0.16 0.96 112.91 118.56 1faf h THR 64 Ca 0.46 -0.15 -0.25 0.00 0.77 0.00 0.00 66.41 67.24 1faf h THR 64 Cb 0.38 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1faf h THR 64 CO -0.21 0.08 -1.36 -0.33 0.37 0.00 0.00 175.52 174.07 1faf h GLU 65 N 0.43 0.00 -0.59 6.66 4.39 -0.93 -3.31 114.58 121.23 1faf h GLU 65 Ca 0.63 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.42 1faf h GLU 65 Cb 1.50 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.11 1faf h GLU 65 CO -0.37 0.74 0.39 0.28 -1.16 0.00 0.00 179.01 178.89 1faf h VAL 66 N 0.00 0.92 -0.20 3.13 2.07 0.26 0.57 116.25 122.99 1faf h VAL 66 Ca -0.15 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 1faf h VAL 66 Cb 1.89 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1faf h VAL 66 CO 0.10 0.08 -0.43 0.22 0.02 0.00 0.00 177.57 177.56 1faf h TYR 67 N 0.44 0.60 0.00 1.57 3.20 -1.17 -2.99 116.97 118.61 1faf h TYR 67 Ca 0.27 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1faf h TYR 67 Cb 0.48 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1faf h TYR 67 CO -0.00 0.85 -0.69 -2.95 -1.64 0.00 0.00 178.16 173.73 1faf h ASN 68 N 0.41 0.00 -0.15 -2.11 7.08 -1.25 -3.34 115.58 116.22 1faf h ASN 68 Ca 0.03 -0.21 0.01 0.00 -3.08 0.00 0.00 56.30 53.05 1faf h ASN 68 Cb 0.92 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.16 1faf h ASN 68 CO 0.08 0.11 0.10 0.17 -2.08 0.00 0.00 177.43 175.81 1faf h LEU 69 N 0.00 0.12 0.00 6.14 8.10 0.21 0.18 115.31 130.06 1faf h LEU 69 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1faf h LEU 69 Cb 0.76 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.95 1faf h LEU 69 CO 0.00 0.09 0.00 0.54 -4.11 0.00 0.00 178.44 174.96 1faf n ARG 70 N -4.51 0.70 -0.07 0.17 1.74 -1.25 -2.69 116.66 110.74 1faf n ARG 70 Ca -0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.00 1faf n ARG 70 Cb 0.12 -1.45 -0.10 0.00 -1.02 0.00 0.00 32.46 30.01 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1faf n MET 71 N -0.95 1.61 -0.15 5.56 2.81 0.04 -4.92 117.12 121.12 1faf n MET 71 Ca 0.15 0.01 -0.05 0.00 -1.81 0.00 0.00 57.70 55.99 1faf n MET 71 Cb 0.07 -1.35 0.05 0.00 -0.71 0.00 0.00 33.22 31.28 1faf n MET 71 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1faf n ASN 72 N -2.57 -1.43 -4.10 7.83 4.13 -1.09 -4.79 115.26 113.24 1faf n ASN 72 Ca -0.23 -0.52 -0.38 0.00 1.68 0.00 0.00 54.58 55.13 1faf n ASN 72 Cb 0.92 -0.17 -0.05 0.00 -1.54 0.00 0.00 39.78 38.94 1faf n ASN 72 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1faf n LEU 73 N 0.00 4.06 -2.73 3.41 7.99 -1.26 -4.44 117.00 124.03 1faf n LEU 73 Ca 0.03 -3.23 -0.09 0.00 -0.01 0.00 0.00 56.01 52.71 1faf n LEU 73 Cb 0.10 -1.47 0.08 0.00 -0.11 0.00 0.00 43.42 42.03 1faf n LEU 73 CO 0.07 -0.72 0.27 0.61 -1.51 0.00 0.00 177.39 176.12 1faf n GLY 74 N 5.05 1.43 3.56 -0.72 0.00 -1.26 -5.09 105.19 108.16 1faf n GLY 74 Ca 0.48 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1faf n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1faf s GLY 75 N -1.79 0.61 -0.61 -0.02 0.00 -1.26 -4.91 107.32 99.34 1faf s GLY 75 Ca 0.25 -0.87 -0.25 0.00 0.00 0.00 0.00 44.72 43.84 1faf s GLY 75 CO -0.05 3.01 1.03 -0.51 0.00 0.00 0.00 173.10 176.58 1faf s THR 76 N 7.16 4.22 0.00 0.90 -4.23 -1.26 -4.74 115.64 117.69 1faf s THR 76 Ca 0.53 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 1faf s THR 76 Cb -0.11 -4.66 0.00 0.00 1.34 0.00 0.00 72.50 69.07 1faf s THR 76 CO 0.20 -1.35 0.00 0.61 -0.54 0.00 0.00 174.62 173.54 1faf n GLY 77 N 5.21 0.73 3.58 3.99 0.00 -1.26 -4.69 105.19 112.74 1faf n GLY 77 Ca 0.01 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 1faf n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1faf s PHE 78 N 0.00 2.48 -1.43 1.61 0.08 -1.26 -5.28 117.98 114.17 1faf s PHE 78 Ca 0.00 0.52 0.11 0.00 0.12 0.00 0.00 56.93 57.69 1faf s PHE 78 Cb 0.00 -4.43 0.09 0.00 -0.57 0.00 0.00 43.02 38.11 1faf s PHE 78 CO 0.00 -1.75 0.86 0.94 -0.10 0.00 0.00 175.22 175.17